기본 정보
- CAS
1454-84-8- 표준 SMILES
CCCCCCCCCCCCCCCCCCCO- InChIKey
XGFDHKJUZCCPKQ-UHFFFAOYSA-N- 분자식
- C19H40O
- 평균 분자량
- 284.5 g/mol
- 단동위원소 질량
- 284.3079159
개요
Nonadecan-1-ol is a long-chain primary fatty alcohol that is nonadecane in which one of the terminal methyl hydrogens is replaced by a hydroxy group. It has a role as a volatile oil component, a plant metabolite and a fungal metabolite. It is a nonadecanol and a long-chain primary fatty alcohol.
이름 및 식별자
- 우선 이름
- 1-Nonadecanol
- IUPAC
- nonadecan-1-ol
- 현지명
- 1-노나데카놀
- 영어명
- 1-NONADECANOL
- 분자식
- C19H40O
- 분자량
- 284.52
이름 및 동의어
1-NONADECANOLNonadecan-1-olNONADECANOLNonadecyl alcoholn-Nonadecanol-1n-nonadecyl alcoholUNII-A465X576KOA465X576KOEINECS 215-930-4AI3-36471DTXSID90870875Nonadecan1ol
이름 더 보기
1-노나데카놀ALCOHOL C191-NONDECANOLNonadecanol-(1)1-Nonadecanol>Nonadecanol, 99+%
RefChem:76626DTXCID1081855752783-43-4XGFDHKJUZCCPKQ-UHFFFAOYSA-N1454-84-8MFCD00002824n-Nonadecanol1-Nonadecanol; Nonadecyl alcohol; n-1-Nonadecanol; n-Nonadecanol
데이터베이스 식별자
- CAS
1454-84-8- PubChem CID
- 80281
- DTXSID
DTXSID90870875- ChEBI
CHEBI:197470- UNII
- A465X576KO
- EC Number
- 215-930-4
- Nikkaji
- J45.980A
물성
구조 계산 물성
- XLogP
- 8.9
- 극성 표면적
- 20.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 17
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 156
실험 및 물리화학적 성질
PolymersOther Classes -> Alcohols and Polyols, Other
Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionWhite flakes; [Aldrich MSDS]
물리화학적 성질
- 녹는점
- 60 · 60-61 °C (lit.)
- 끓는 점
- 156 °C · 156 °C (0.1 mmHg)
- 밀도
- 0.8528 · 0.8528 (estimate)
- 굴절률
- 1.4328 · 1.4328
- 저장 조건
- 2 · 2-8°C
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨, 초음파처리)
- 산도 계수 (pKa)
- 15.2 · 15.20±0.10(Predicted)
- 물리적 상태
- 액체
- 색상
- 회백색
- BRN
- 1758190 · 1758190
- Henry's Law Constant
- 9.9 · 9.9×10-2 mol/(m3Pa) at 25℃, Yaws et al. (1997)
- InChI
- 1S/C19H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20/h20H,2-19H2,1H3
- InChIKey
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (3 of 3) of all reports.
Not Classified
Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information1-Nonadecanol: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards Summary
Aliphatic alcohols are metabolized and eliminated efficiently; Not skin sensitizers; May have low-grade liver effects; CNS depression seen in shorter chain alcohols, e.g., 1-hexanol and 1-octanol; [Reference #1] May cause irritation; [Aldrich MSDS] See 1-Docosanol.
Hazard Classes and CategoriesNot Classified
안전 데이터
- wgk
- 3
- HS 번호
- 2905.16.0050
- safety_code
- 22-24/25
- 기존화학 물질
- KE-26058
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도1-Nonadecanol was used as an internal standard in the study of coprostanol in sediments.
일반 설명1-Nonadecanol is one of the constituents of supercritical carbon dioxide (SC-CO2) essential oil of freshly collected aerial parts of Heracleum thomsonii (Umbeliferae).
관련 반응
2건
화합물 노트
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